C306H198N12 — CID 162102025
7-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]quinoline (PubChem CID 162102025) has the molecular formula C306H198N12 and a molecular weight of 4043.03 g/mol. Its IUPAC name is 7-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]quinoline.
| Compound Name | 7-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]quinoline |
|---|---|
| PubChem CID | 162102025 |
| Molecular Formula | C306H198N12 |
| Molecular Weight | 4043.03 g/mol |
| Exact Mass | 4039.59 |
| IUPAC Name | 7-[3-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-2-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;7-[4-(9,9-diphenylfluoren-4-yl)phenyl]-4-phenyl-2-pyridin-2-ylquinoline;4-phenyl-2-pyridin-2-yl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]quinoline;4-phenyl-2-pyridin-2-yl-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]quinoline |
| SMILES | c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc4)ccc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4ccc(-c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)cc4)ccc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3cc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c4)ccc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3ccc(-c4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4)cc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3ccc(-c4ccc(-c5cccc6c5-c5ccccc5C65c6ccccc6-c6ccccc65)cc4)cc23)cc1.c1ccc(-c2cc(-c3ccccn3)nc3ccc(-c4cccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)c4)cc23)cc1 |
| InChI | InChI=1S/3C51H32N2.3C51H34N2/c1-2-13-33(14-3-1)42-32-50(49-23-10-11-28-52-49)53-48-27-25-36(30-43(42)48)34-15-12-16-35(29-34)37-24-26-41-40-19-6-9-22-46(40)51(47(41)31-37)44-20-7-4-17-38(44)39-18-5-8-21-45(39)51;1-2-13-34(14-3-1)41-32-49(48-23-10-11-30-52-48)53-47-29-28-36(31-42(41)47)33-24-26-35(27-25-33)37-18-12-22-46-50(37)40-17-6-9-21-45(40)51(46)43-19-7-4-15-38(43)39-16-5-8-20-44(39)51;1-2-12-35(13-3-1)42-32-50(49-20-10-11-29-52-49)53-48-28-26-36(30-43(42)48)33-21-23-34(24-22-33)37-25-27-41-40-16-6-9-19-46(40)51(47(41)31-37)44-17-7-4-14-38(44)39-15-5-8-18-45(39)51;1-4-15-35(16-5-1)45-34-50(48-25-12-13-30-52-48)53-49-33-39(27-29-44(45)49)37-18-14-17-36(31-37)38-26-28-43-42-23-10-11-24-46(42)51(47(43)32-38,40-19-6-2-7-20-40)41-21-8-3-9-22-41;1-4-15-36(16-5-1)44-34-49(47-25-12-13-32-52-47)53-48-33-38(30-31-42(44)48)35-26-28-37(29-27-35)41-22-14-24-46-50(41)43-21-10-11-23-45(43)51(46,39-17-6-2-7-18-39)40-19-8-3-9-20-40;1-4-14-37(15-5-1)45-34-50(48-22-12-13-31-52-48)53-49-33-39(28-30-44(45)49)36-25-23-35(24-26-36)38-27-29-43-42-20-10-11-21-46(42)51(47(43)32-38,40-16-6-2-7-17-40)41-18-8-3-9-19-41/h3*1-32H;3*1-34H |
| InChIKey | ZFABFRMHQFMUPW-UHFFFAOYSA-N |
| XLogP | 75.91 |
| TPSA | 154.68 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 30 |
| Heavy Atoms | 318 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4043.03 |
| LogP ≤ 5 | 75.91 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |